[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C17H19NO4 — CID 18197418

IUPAC[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccoc2C)cc1
InChIInChI=1S/C17H19NO4/c1-4-13-5-7-14(8-6-13)18-16(19)12(3)22-17(20)15-9-10-21-11(15)2/h5-10,12H,4H2,1-3H3,(H,18,19)
InChIKeyUQNCAPZHHULUNA-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.33
Rot. Bonds5

About [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 18197418) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID18197418
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccoc2C)cc1
InChIInChI=1S/C17H19NO4/c1-4-13-5-7-14(8-6-13)18-16(19)12(3)22-17(20)15-9-10-21-11(15)2/h5-10,12H,4H2,1-3H3,(H,18,19)
InChIKeyUQNCAPZHHULUNA-UHFFFAOYSA-N
XLogP3.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 55385781
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968580
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-methylfuran-3-carboxylate
CID 8968505
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384726
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567381
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508540
[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 27626332
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 7951419
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384659
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 7663588
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 46822727

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 18197418) is [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is CCc1ccc(NC(=O)C(C)OC(=O)c2ccoc2C)cc1.
What is the InChIKey of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is UQNCAPZHHULUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-13-5-7-14(8-6-13)18-16(19)12(3)22-17(20)15-9-10-21-11(15)2/h5-10,12H,4H2,1-3H3,(H,18,19).
What are the key properties of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 18197418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).